title: The analysis of healthy volunteers' exhaled breath by the use of solid-phase microextraction and GC-MS.
abstract: We analysed breath and inhaled room air samples from 39 healthy volunteers (28 non-smokers, 8 smokers and 3 ex-smokers) by SPME-GC-MS. Mixed expiratory and indoor air samples were collected in freshly cleaned Tedlar bags. Eighteen millilitres of each sample were transferred into sealed, evacuated glass vials, preconcentrated by solid-phase microextraction (SPME, carboxen/polydimethylsiloxane) and investigated by gas chromatography with mass spectrometric detection (GC-MS). For the unequivocal identification of potential marker compounds, pure calibration mixtures of reference compounds (depending on commercial availability) were prepared to determine the retention time and mass spectra with respect to our analytical setting. Applying the adapted SPME-GC/MS method with limit of detection in the high ppb range (0.05-15.00 ppb), we succeeded in identifying altogether 38 compounds with concentrations in exhaled breath being at least 50% higher than concentration in inhaled air. From these 38 compounds, 31 were identified not only by the spectral library match but also by retention time of standards. A comparison of retention times and spectrum obtained for standards and determined compounds was performed. We found hydrocarbons (isoprene, 2-pentene, 2-methyl-1-pentene, benzene, toluene, p-cymene, limonene, 2,4-dimethylheptane, n-butane), ketones (acetone, hydroxypropanone, methylvinyl ketone), ethers (dimethyl ether, 1,3-dioxolane), esters (ethyl acetate), aldehydes (propanal, hexanal, heptanal, acrolein) and alcohols (ethanol, 2-metoxyethanol, isopropyl alcohol, 2,2,3,3- tetramethylcyclopropanemethanol, 3,4-dimethylcyclohexanol). Proper identification of compounds in different cohorts of patients and volunteers is the base for further investigation of origin, biochemical background and distribution of potential breath biomarkers.
authors.affiliation: Department of Anaesthesiology and Critical Care Medicine, Innsbruck Medical University, Anichstraße 35, A-6020 Innsbruck, Austria. Breath Research Unit of the Austrian Academy of Sciences, Dammstrasse 22, A-6850 Dornbirn, Austria. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina St, PL-87-100 Toruń, Poland.
authors.forename: T
authors.initials: T
authors.lastname: Ligor
authors.forename: M
authors.initials: M
authors.lastname: Ligor
authors.forename: A
authors.initials: A
authors.lastname: Amann
authors.forename: C
authors.initials: C
authors.lastname: Ager
authors.forename: M
authors.initials: M
authors.lastname: Bachler
authors.forename: A
authors.initials: A
authors.lastname: Dzien
authors.forename: B
authors.initials: B
authors.lastname: Buszewski